N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide

C20H14N4O2S — CID 10133992

IUPACN-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide
SMILESN#Cc1c(NC(=O)c2cccs2)nc2ccccc2c1NCc1ccco1
InChIInChI=1S/C20H14N4O2S/c21-11-15-18(22-12-13-5-3-9-26-13)14-6-1-2-7-16(14)23-19(15)24-20(25)17-8-4-10-27-17/h1-10H,12H2,(H2,22,23,24,25)
InChIKeyOSGKZLMGHQWKSL-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.63
Rot. Bonds5

About N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide

N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide (PubChem CID 10133992) has the molecular formula C20H14N4O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide
PubChem CID10133992
Molecular FormulaC20H14N4O2S
Molecular Weight374.43 g/mol
Exact Mass374.08
IUPAC NameN-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide
SMILESN#Cc1c(NC(=O)c2cccs2)nc2ccccc2c1NCc1ccco1
InChIInChI=1S/C20H14N4O2S/c21-11-15-18(22-12-13-5-3-9-26-13)14-6-1-2-7-16(14)23-19(15)24-20(25)17-8-4-10-27-17/h1-10H,12H2,(H2,22,23,24,25)
InChIKeyOSGKZLMGHQWKSL-UHFFFAOYSA-N
XLogP4.63
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide (CID 10133992) is N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide is N#Cc1c(NC(=O)c2cccs2)nc2ccccc2c1NCc1ccco1.
What is the InChIKey of N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide?
The InChIKey is OSGKZLMGHQWKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S/c21-11-15-18(22-12-13-5-3-9-26-13)14-6-1-2-7-16(14)23-19(15)24-20(25)17-8-4-10-27-17/h1-10H,12H2,(H2,22,23,24,25).
What are the key properties of N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide?
N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(furan-2-ylmethylamino)quinolin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 10133992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).